1'-Hydroxymidazolam - ≥98% , CAS No.59468-90-5

CAS: 59468-90-5 Cat. No.: H647302 Molecular Weight: 341.77 PubChem CID: 107917

GRADE & PURITY ≥98%

Synonyms

8-Chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-1-methanol | 1'-Hydroxy Midazolam | MS-25227 | alpha-Hydroxymidazolam 0.1 mg/ml in Methanol | Q27276873 | Ro 21-6347 | 8-Chloro-6-(2-fluorophenyl)-1-hydroxymethyl-4H-imidazo[1,5-a][1,4]benzo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

1'-Hydroxymidazolam is a primary active metabolite of Midazolam, and it is a neuronal depressant agent. 1'-Hydroxymidazolam could inhibit neuronal activity add to the effects of Midazolam.

In Vitro

1'-Hydroxymidazolam (5 nM-1 µM) induces a significant inhibition of the action potential firing rate at concentrations of 100 nM or higher and causes a steady increase in the depression of network activity with increasing concentrations of up to 1 µM in neocortical slice cultures from wild-type mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

8-Chloro-6-(2-fluorophenyl)-4H-imidazo[1, 5-a][1, 4]benzodiazepine-1-methanol | 1'-Hydroxy Midazolam | MS-25227 | alpha-Hydroxymidazolam 0.1 mg/ml in Methanol | Q27276873 | Ro 21-6347 | 8-Chloro-6-(2-fluorophenyl)-1-hydroxymethyl-4H-imidazo[1, 5-a][1, 4]benzo

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

1'-Hydroxymidazolam is a primary active metabolite of Midazolam, and it is a neuronal depressant agent. 1'-Hydroxymidazolam could inhibit neuronal activity add to the effects of Midazolam.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO
• IUPAC Name: [8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl]methanol
• InChIKey: QHSMEGADRFZVNE-UHFFFAOYSA-N
• INCHI: 1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2
• Isomeric SMILES: C1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO
• WGK Germany: 3
• PubChem CID: 107917
• Molecular Weight: 341.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo[1,5-a][1,4]benzodiazepines
• Alternative Parents: Fluorobenzenes 1,4-diazepines N-substituted imidazoles Aryl fluorides Aryl chlorides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Imine - Primary alcohol - Aromatic alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 341.800 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 341.073 Da
• Monoisotopic Mass: 341.073 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1